N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-phenylthiophene-2-carboxamide

C22H20N2O2S — CID 59761440

IUPACN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-phenylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C22H20N2O2S/c1-14-7-8-16(21(25)23-17-9-10-17)13-18(14)24-22(26)20-12-11-19(27-20)15-5-3-2-4-6-15/h2-8,11-13,17H,9-10H2,1H3,(H,23,25)(H,24,26)
InChIKeyKZEDMSVXTDJHCL-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.87
Rot. Bonds5

About N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-phenylthiophene-2-carboxamide

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-phenylthiophene-2-carboxamide (PubChem CID 59761440) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-phenylthiophene-2-carboxamide
PubChem CID59761440
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC NameN-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-phenylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C22H20N2O2S/c1-14-7-8-16(21(25)23-17-9-10-17)13-18(14)24-22(26)20-12-11-19(27-20)15-5-3-2-4-6-15/h2-8,11-13,17H,9-10H2,1H3,(H,23,25)(H,24,26)
InChIKeyKZEDMSVXTDJHCL-UHFFFAOYSA-N
XLogP4.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-Chlorophenyl)-N-[5-(Cyclopropylcarbamoyl)-2-Methylphenyl]thiophene-2-Carboxamide
CID 24985573
N-[(1R)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide
CID 155801622
SARS-CoV-2 PLpro Inhibitor, 65
CID 156907310
SARS-CoV-2-IN-95
CID 156907317
N-[3-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8197605
N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9074003
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 24985915
N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 151826414
N-[4-[4-(3-cyanophenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155512662
SARS-CoV-2 PLpro Inhibitor, 66
CID 156907311
SARS-CoV-2 PLpro Inhibitor, 74
CID 156907318
SARS-CoV-2 PLpro Inhibitor, 96
CID 156907335

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-phenylthiophene-2-carboxamide?
The IUPAC name of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-phenylthiophene-2-carboxamide (CID 59761440) is N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-phenylthiophene-2-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccccc2)s1.
What is the InChIKey of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-phenylthiophene-2-carboxamide?
The InChIKey is KZEDMSVXTDJHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-14-7-8-16(21(25)23-17-9-10-17)13-18(14)24-22(26)20-12-11-19(27-20)15-5-3-2-4-6-15/h2-8,11-13,17H,9-10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-phenylthiophene-2-carboxamide?
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-phenylthiophene-2-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 59761440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).